Dataset

PEG 5k.

This dataset contains NMR spectra obtained for the sample -PEG 5k date: 2021-08-21T11:49:29.000Z isFt: true name: PEG 5k/10 phc0: -244.14 phc1: 0 type: NMR Spectrum DECIM: 1664 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 21 nucleus: 1H reverse: false solvent: D2O dimension: 1 increment: 3.75457845376695 isComplex: true probeName: Z116098_0618 (PA BBO 400S1 BBF-H-D-05 Z SP) experiment: 1d groupDelay: 76 temperature: 298.0646 spectrumSize: 131072 baseFrequency: 400.15 fieldStrength: 9.398161044985478 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 30.0366276301356 numberOfPoints: 9 relaxationTime: 0.1 acquisitionTime: 0.00033280000000005693 frequencyOffset: 2471.084000035262 originFrequency: 400.152471084 pulseStrength90: 25000 experimentNumber: 10 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2021-08-20T20:06:49.000Z isFt: true name: PEG 5k/100 phc0: -244.6 phc1: 0 type: NMR Spectrum DECIM: 1664 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 21 nucleus: 1H reverse: false solvent: D2O dimension: 1 increment: 3.75457845376695 isComplex: true probeName: Z116098_0618 (PA BBO 400S1 BBF-H-D-05 Z SP) experiment: 1d groupDelay: 76 temperature: 297.998 spectrumSize: 131072 baseFrequency: 400.15 fieldStrength: 9.398161044985478 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 30.0366276301356 numberOfPoints: 9 relaxationTime: 0.1 acquisitionTime: 0.00033280000000005693 frequencyOffset: 2471.084000035262 originFrequency: 400.152471084 pulseStrength90: 25000 experimentNumber: 100 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2021-08-20T20:27:35.000Z isFt: true name: PEG 5k/101 phc0: 17.38403,0 phc1: 0,0 type: NMR Spectrum DECIM: 2432 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.1.1 DSPFVS: 21 nucleus: 1H,1H reverse: false,false solvent: D2O dimension: 2 increment: 3.4252334934258 isComplex: false probeName: Z116098_0618 (PA BBO 400S1 BBF-H-D-05 Z SP) experiment: null groupDelay: 76 temperature: 283.0039 spectrumSize: 32768,1024 baseFrequency: 400.15,400.15 fieldStrength: 9.398161044985478 numberOfScans: 16 pulseSequence: ledbpgp2s spectralWidth: 20.5514009605548,20.6192273663652 numberOfPoints: 7 relaxationTime: 5 acquisitionTime: 0.00036479999999999916 frequencyOffset: 2000.650000013593,2000.650000013593 originFrequency: 400.15200065,400.15200065 pulseStrength90: 25000 experimentNumber: 101 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,0 date: 2021-08-20T21:58:09.000Z isFt: true name: PEG 5k/102 phc0: 17.38403,0 phc1: 0,0 type: NMR Spectrum DECIM: 2432 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.1.1 DSPFVS: 21 nucleus: 1H,1H reverse: false,false solvent: D2O dimension: 2 increment: 3.4252334934258 isComplex: false probeName: Z116098_0618 (PA BBO 400S1 BBF-H-D-05 Z SP) experiment: null groupDelay: 76 temperature: 288.0005 spectrumSize: 32768,1024 baseFrequency: 400.15,400.15 fieldStrength: 9.398161044985478 numberOfScans: 16 pulseSequence: ledbpgp2s spectralWidth: 20.5514009605548,20.6192273663652 numberOfPoints: 7 relaxationTime: 5 acquisitionTime: 0.00036479999999999916 frequencyOffset: 2000.650000013593,2000.650000013593 originFrequency: 400.15200065,400.15200065 pulseStrength90: 25000 experimentNumber: 102 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,0 date: 2021-08-20T23:33:45.000Z isFt: true name: PEG 5k/103 phc0: 17.38403,0 phc1: 0,0 type: NMR Spectrum DECIM: 2432 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.1.1 DSPFVS: 21 nucleus: 1H,1H reverse: false,false solvent: D2O dimension: 2 increment: 3.4252334934258 isComplex: false probeName: Z116098_0618 (PA BBO 400S1 BBF-H-D-05 Z SP) experiment: null groupDelay: 76 temperature: 293.0011 spectrumSize: 32768,1024 baseFrequency: 400.15,400.15 fieldStrength: 9.398161044985478 numberOfScans: 16 pulseSequence: ledbpgp2s spectralWidth: 20.5514009605548,20.6192273663652 numberOfPoints: 7 relaxationTime: 5 acquisitionTime: 0.00036479999999999916 frequencyOffset: 2000.650000013593,2000.650000013593 originFrequency: 400.15200065,400.15200065 pulseStrength90: 25000 experimentNumber: 103 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,0 date: 2021-08-21T01:03:05.000Z isFt: true name: PEG 5k/104 phc0: 17.38403,0 phc1: 0,0 type: NMR Spectrum DECIM: 2432 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 21 nucleus: 1H,1H reverse: false,false solvent: D2O dimension: 2 increment: 5.1378502401387 isComplex: false probeName: Z116098_0618 (PA BBO 400S1 BBF-H-D-05 Z SP) experiment: null groupDelay: 76 temperature: 297.9998 spectrumSize: 32768,1024 baseFrequency: 400.15,400.15 fieldStrength: 9.398161044985478 numberOfScans: 16 pulseSequence: ledbpgp2s spectralWidth: 20.5514009605548,20.6192273663652 numberOfPoints: 5 relaxationTime: 5 acquisitionTime: 0.00024319999999999943 frequencyOffset: 2000.650000013593,2000.650000013593 originFrequency: 400.15200065,400.15200065 pulseStrength90: 25000 experimentNumber: 104 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,0 date: 2021-08-21T02:32:58.000Z isFt: true name: PEG 5k/105 phc0: 17.38403,0 phc1: 0,0 type: NMR Spectrum DECIM: 2432 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 21 nucleus: 1H,1H reverse: false,false solvent: D2O dimension: 2 increment: 5.1378502401387 isComplex: false probeName: Z116098_0618 (PA BBO 400S1 BBF-H-D-05 Z SP) experiment: null groupDelay: 76 temperature: 303.0017 spectrumSize: 32768,1024 baseFrequency: 400.15,400.15 fieldStrength: 9.398161044985478 numberOfScans: 16 pulseSequence: ledbpgp2s spectralWidth: 20.5514009605548,20.6192273663652 numberOfPoints: 5 relaxationTime: 5 acquisitionTime: 0.00024319999999999943 frequencyOffset: 2000.650000013593,2000.650000013593 originFrequency: 400.15200065,400.15200065 pulseStrength90: 25000 experimentNumber: 105 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,0 date: 2021-08-21T04:04:34.000Z isFt: true name: PEG 5k/106 phc0: 17.38403,0 phc1: 0,0 type: NMR Spectrum DECIM: 2432 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 21 nucleus: 1H,1H reverse: false,false solvent: D2O dimension: 2 increment: 5.1378502401387 isComplex: false probeName: Z116098_0618 (PA BBO 400S1 BBF-H-D-05 Z SP) experiment: null groupDelay: 76 temperature: 308.0003 spectrumSize: 32768,1024 baseFrequency: 400.15,400.15 fieldStrength: 9.398161044985478 numberOfScans: 16 pulseSequence: ledbpgp2s spectralWidth: 20.5514009605548,20.6192273663652 numberOfPoints: 5 relaxationTime: 5 acquisitionTime: 0.00024319999999999943 frequencyOffset: 2000.650000013593,2000.650000013593 originFrequency: 400.15200065,400.15200065 pulseStrength90: 25000 experimentNumber: 106 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,0 date: 2021-08-21T05:37:08.000Z isFt: true name: PEG 5k/107 phc0: 17.38403,0 phc1: 0,0 type: NMR Spectrum DECIM: 2432 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 21 nucleus: 1H,1H reverse: false,false solvent: D2O dimension: 2 increment: 5.1378502401387 isComplex: false probeName: Z116098_0618 (PA BBO 400S1 BBF-H-D-05 Z SP) experiment: null groupDelay: 76 temperature: 310.001 spectrumSize: 32768,1024 baseFrequency: 400.15,400.15 fieldStrength: 9.398161044985478 numberOfScans: 16 pulseSequence: ledbpgp2s spectralWidth: 20.5514009605548,20.6192273663652 numberOfPoints: 5 relaxationTime: 5 acquisitionTime: 0.00024319999999999943 frequencyOffset: 2000.650000013593,2000.650000013593 originFrequency: 400.15200065,400.15200065 pulseStrength90: 25000 experimentNumber: 107 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,0 date: 2021-08-21T07:09:51.000Z isFt: true name: PEG 5k/108 phc0: 17.38403,0 phc1: 0,0 type: NMR Spectrum DECIM: 2432 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.1.1 DSPFVS: 21 nucleus: 1H,1H reverse: false,false solvent: D2O dimension: 2 increment: 3.4252334934258 isComplex: false probeName: Z116098_0618 (PA BBO 400S1 BBF-H-D-05 Z SP) experiment: null groupDelay: 76 temperature: 313.0043 spectrumSize: 32768,1024 baseFrequency: 400.15,400.15 fieldStrength: 9.398161044985478 numberOfScans: 16 pulseSequence: ledbpgp2s spectralWidth: 20.5514009605548,20.6192273663652 numberOfPoints: 7 relaxationTime: 5 acquisitionTime: 0.00036479999999999916 frequencyOffset: 2000.650000013593,2000.650000013593 originFrequency: 400.15200065,400.15200065 pulseStrength90: 25000 experimentNumber: 108 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,0 date: 2021-08-21T08:45:16.000Z isFt: true name: PEG 5k/109 phc0: 17.38403,0 phc1: 0,0 type: NMR Spectrum DECIM: 2432 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.1.1 DSPFVS: 21 nucleus: 1H,1H reverse: false,false solvent: D2O dimension: 2 increment: 3.4252334934258 isComplex: false probeName: Z116098_0618 (PA BBO 400S1 BBF-H-D-05 Z SP) experiment: null groupDelay: 76 temperature: 318.0001 spectrumSize: 32768,1024 baseFrequency: 400.15,400.15 fieldStrength: 9.398161044985478 numberOfScans: 16 pulseSequence: ledbpgp2s spectralWidth: 20.5514009605548,20.6192273663652 numberOfPoints: 7 relaxationTime: 5 acquisitionTime: 0.00036479999999999916 frequencyOffset: 2000.650000013593,2000.650000013593 originFrequency: 400.15200065,400.15200065 pulseStrength90: 25000 experimentNumber: 109 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,0 date: 2021-08-21T12:00:22.000Z isFt: true name: PEG 5k/11 phc0: 17.38403,0 phc1: 0,0 type: NMR Spectrum DECIM: 2432 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 21 nucleus: 1H,1H reverse: false,false solvent: D2O dimension: 2 increment: 5.1378502401387 isComplex: false probeName: Z116098_0618 (PA BBO 400S1 BBF-H-D-05 Z SP) experiment: null groupDelay: 76 temperature: 297.9989 spectrumSize: 32768,1024 baseFrequency: 400.15,400.15 fieldStrength: 9.398161044985478 numberOfScans: 16 pulseSequence: ledbpgp2s spectralWidth: 20.5514009605548,20.6192273663652 numberOfPoints: 5 relaxationTime: 5 acquisitionTime: 0.00024319999999999943 frequencyOffset: 2000.650000013593,2000.650000013593 originFrequency: 400.15200065,400.15200065 pulseStrength90: 25000 experimentNumber: 11 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,0 date: 2021-08-21T10:21:45.000Z isFt: true name: PEG 5k/110 phc0: 17.38403,0 phc1: 0,0 type: NMR Spectrum DECIM: 2432 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 21 nucleus: 1H,1H reverse: false,false solvent: D2O dimension: 2 increment: 5.1378502401387 isComplex: false probeName: Z116098_0618 (PA BBO 400S1 BBF-H-D-05 Z SP) experiment: null groupDelay: 76 temperature: 323.0019 spectrumSize: 32768,1024 baseFrequency: 400.15,400.15 fieldStrength: 9.398161044985478 numberOfScans: 16 pulseSequence: ledbpgp2s spectralWidth: 20.5514009605548,20.6192273663652 numberOfPoints: 5 relaxationTime: 5 acquisitionTime: 0.00024319999999999943 frequencyOffset: 2000.650000013593,2000.650000013593 originFrequency: 400.15200065,400.15200065 pulseStrength90: 25000 experimentNumber: 110 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,0

Chemical Info

molecular Image
InChI InChI=1S/C2H4O/c1-2-3-1/h1-2H2
SMILES C1CO1
InChI Key IAYPIBMASNFSPL-UHFFFAOYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p68.s515.d2661
License URL https://creativecommons.org/licenses/by-sa/4.0/legalcode
Source https://nmrxiv.org/D2661
Version
Author
Maintainer
Language english
MetadataCreated 2025-02-03T16:25:33.760521
MetadataModified 2025-02-03T16:25:33.760527
MetadataPublished 2024-06-14 10:54:04
Field Value
No additional information available for this Dataset.
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The data in this table is sourced from UniChem at EBI.